General Information of the Compound
Compound ID |
CP0404967
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Compound Name |
(2R)-2-amino-N-[(2R)-5-(diaminomethylideneamino)-1-phenylpentan-2-yl]-3-(4-fluorophenyl)propanamide
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Structure |
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Formula |
C21H28FN5O
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Molecular Weight |
385.487
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Canonical SMILES |
N[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCCN=C(N)N)Cc1ccccc1
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InChI |
InChI=1S/C21H28FN5O/c22-17-10-8-16(9-11-17)14-19(23)20(28)27-18(7-4-12-26-21(24)25)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H,27,28)(H4,24,25,26)/t18-,19-/m1/s1
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InChIKey |
FWXWLUZMESYEFC-RTBURBONSA-N
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Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01325, Melanocortin receptor 3
Protein ID: PT00914, Melanocortin receptor 4
Protein ID: PT00911, Melanocyte-stimulating hormone receptor